#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypk s VAL 17 N 0.00 5.35 -1.49 1.39 1.01 0.57 -4.20 120.40 123.03 1ypk s VAL 17 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1ypk s VAL 17 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1ypk s VAL 17 CO 0.00 0.45 0.34 -0.62 0.00 0.00 0.00 175.10 175.27 1ypk n GLU 18 N 3.21 -3.31 0.00 2.72 -0.58 -1.26 -2.15 120.64 119.27 1ypk n GLU 18 Ca -0.15 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 1ypk n GLU 18 Cb 0.52 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.91 1ypk n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypk n GLY 19 N -1.29 2.83 3.16 0.62 0.00 -1.26 -4.60 105.19 104.65 1ypk n GLY 19 Ca -0.15 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1ypk n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypk s SER 20 N -0.60 0.31 0.28 1.61 1.04 -0.40 -4.92 113.70 111.02 1ypk s SER 20 Ca 0.00 -1.08 -0.30 0.00 0.48 0.00 0.00 55.95 55.05 1ypk s SER 20 Cb 0.00 0.29 -0.13 0.00 0.10 0.00 0.00 66.02 66.28 1ypk s SER 20 CO 0.00 -0.72 1.35 0.47 0.98 0.00 0.00 173.24 175.32 1ypk n ASP 21 N -0.05 2.71 -4.81 7.02 9.92 -1.26 -0.37 116.55 129.70 1ypk n ASP 21 Ca -0.08 1.17 -0.33 0.00 -0.53 0.00 0.00 54.79 55.01 1ypk n ASP 21 Cb 0.63 -1.45 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 1ypk n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ypk s ALA 22 N -0.49 2.88 0.64 2.24 0.00 0.23 -4.73 121.76 122.53 1ypk s ALA 22 Ca 0.63 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1ypk s ALA 22 Cb -0.62 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1ypk s ALA 22 CO 0.55 -0.35 1.06 -1.21 0.00 0.00 0.00 175.76 175.81 1ypk s GLU 23 N -3.48 3.14 0.23 0.00 2.02 -1.26 -4.93 118.70 114.41 1ypk s GLU 23 Ca 0.65 1.12 -0.31 0.00 0.02 0.00 0.00 54.97 56.45 1ypk s GLU 23 Cb -0.15 -2.01 -0.11 0.00 0.10 0.00 0.00 34.13 31.96 1ypk s GLU 23 CO 0.24 -0.95 1.64 0.42 0.02 0.00 0.00 175.26 176.63 1ypk s ILE 24 N -2.67 2.17 -0.05 -1.63 -1.09 -1.26 -2.23 121.20 114.43 1ypk s ILE 24 Ca 0.62 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1ypk s ILE 24 Cb -0.15 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1ypk s ILE 24 CO 0.44 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1ypk n GLY 25 N 3.29 0.36 0.15 6.18 0.00 -1.26 -4.90 105.19 109.01 1ypk n GLY 25 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1ypk n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ypk h MET 26 N 0.60 0.05 -2.03 1.61 -1.53 -1.82 -3.36 114.93 108.45 1ypk h MET 26 Ca -0.01 -0.03 -0.54 0.00 -3.44 0.00 0.00 59.70 55.68 1ypk h MET 26 Cb 0.37 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.03 1ypk h MET 26 CO 0.01 0.62 -1.07 0.45 0.14 0.00 0.00 176.91 177.06 1ypk n SER 27 N -3.85 0.97 0.00 1.39 2.88 -1.26 -4.97 113.62 108.78 1ypk n SER 27 Ca -0.01 -2.93 0.09 0.00 -1.33 0.00 0.00 58.87 54.69 1ypk n SER 27 Cb 0.59 -0.63 0.45 0.00 -0.75 0.00 0.00 64.21 63.87 1ypk n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypk n PRO 28 N 0.87 0.28 0.00 -1.46 -0.04 -1.26 -0.48 135.00 132.91 1ypk n PRO 28 Ca 0.24 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1ypk n PRO 28 Cb 0.56 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.81 1ypk n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ypk n TRP 29 N -1.25 0.00 -1.93 0.54 2.14 -0.99 -1.14 117.44 114.81 1ypk n TRP 29 Ca 0.09 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.24 1ypk n TRP 29 Cb 0.13 -0.17 -0.02 0.00 -0.81 0.00 0.00 31.31 30.43 1ypk n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ypk s GLN 30 N -2.74 4.21 0.00 -2.67 2.00 0.37 -0.96 119.66 119.87 1ypk s GLN 30 Ca 0.18 2.39 0.07 0.00 -2.00 0.00 0.00 55.36 56.00 1ypk s GLN 30 Cb 0.18 -3.10 -0.02 0.00 0.80 0.00 0.00 33.01 30.87 1ypk s GLN 30 CO 0.61 -0.54 -0.22 0.08 -0.50 0.00 0.00 175.29 174.73 1ypk s VAL 31 N 0.38 1.75 -0.22 1.34 1.01 0.08 -4.03 120.40 120.71 1ypk s VAL 31 Ca 0.64 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1ypk s VAL 31 Cb -0.44 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ypk s VAL 31 CO 0.40 0.41 0.11 -0.32 0.00 0.00 0.00 175.10 175.70 1ypk s MET 32 N -0.75 3.98 -0.28 2.72 1.75 -0.20 -1.88 119.30 124.64 1ypk s MET 32 Ca 0.09 -0.32 -0.20 0.00 -1.25 0.00 0.00 55.69 54.00 1ypk s MET 32 Cb -0.09 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.17 1ypk s MET 32 CO 0.00 0.09 0.60 -1.17 -0.65 0.00 0.00 175.02 173.89 1ypk s LEU 33 N 0.91 4.10 -0.13 4.11 0.20 0.27 -0.69 118.68 127.45 1ypk s LEU 33 Ca 0.06 0.54 0.03 0.00 0.69 0.00 0.00 54.13 55.44 1ypk s LEU 33 Cb -0.13 -2.78 0.01 0.00 -0.43 0.00 0.00 46.19 42.85 1ypk s LEU 33 CO 0.03 -0.39 -0.22 0.12 -0.29 0.00 0.00 176.35 175.60 1ypk s PHE 34 N 2.49 2.64 0.15 5.38 5.36 -0.28 -0.04 117.98 133.68 1ypk s PHE 34 Ca 0.24 -1.21 -0.27 0.00 -0.96 0.00 0.00 56.93 54.73 1ypk s PHE 34 Cb -0.15 -1.79 -0.07 0.00 -0.34 0.00 0.00 43.02 40.67 1ypk s PHE 34 CO 0.10 -0.53 0.85 0.50 -1.46 0.00 0.00 175.22 174.68 1ypk s ARG 35 N 0.65 4.65 -0.03 10.12 3.52 0.84 -0.96 118.95 137.74 1ypk s ARG 35 Ca -0.11 1.28 -0.24 0.00 -0.13 0.00 0.00 55.73 56.53 1ypk s ARG 35 Cb -0.16 -3.31 -0.18 0.00 -1.56 0.00 0.00 34.95 29.73 1ypk s ARG 35 CO 0.02 0.42 1.10 0.87 -0.81 0.00 0.00 175.30 176.90 1ypk h LYS 36 N 4.83 -0.14 -3.00 5.12 1.57 -1.68 -2.45 116.57 120.82 1ypk h LYS 36 Ca -0.45 0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.09 1ypk h LYS 36 Cb 1.21 0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.21 1ypk h LYS 36 CO 0.69 0.32 -0.58 0.45 -0.57 0.00 0.00 179.45 179.76 1ypk s SER 36 N -5.54 0.48 0.40 0.86 0.15 -1.26 -3.29 113.70 105.50 1ypk s SER 36 Ca -0.15 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.70 1ypk s SER 36 Cb 0.01 0.45 -0.08 0.00 -1.71 0.00 0.00 66.02 64.69 1ypk s SER 36 CO 0.58 -0.23 1.21 -2.84 1.20 0.00 0.00 173.24 173.16 1ypk s PRO 37 N 2.22 4.02 -0.36 5.44 0.02 -1.26 -5.04 135.00 140.04 1ypk s PRO 37 Ca 0.01 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 1ypk s PRO 37 Cb -0.12 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1ypk s PRO 37 CO -0.07 -0.38 1.95 -0.65 -0.33 0.00 0.00 177.00 177.52 1ypk s GLN 38 N -2.27 3.09 0.25 5.54 -0.21 -1.21 -4.62 119.66 120.23 1ypk s GLN 38 Ca 0.57 1.45 -0.16 0.00 0.02 0.00 0.00 55.36 57.24 1ypk s GLN 38 Cb -0.33 -4.29 0.01 0.00 1.00 0.00 0.00 33.01 29.39 1ypk s GLN 38 CO 0.42 -2.15 0.55 -1.83 -2.12 0.00 0.00 175.29 170.17 1ypk s GLU 39 N 6.21 1.59 -0.21 2.91 -1.05 -0.92 -4.96 118.70 122.27 1ypk s GLU 39 Ca 0.84 -1.12 -0.29 0.00 -0.15 0.00 0.00 54.97 54.25 1ypk s GLU 39 Cb -0.23 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1ypk s GLU 39 CO 0.32 -0.68 1.10 -1.17 0.95 0.00 0.00 175.26 175.77 1ypk s LEU 40 N -2.97 4.13 -0.12 1.83 2.96 -1.26 -0.11 118.68 123.14 1ypk s LEU 40 Ca 0.17 1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 55.43 1ypk s LEU 40 Cb -0.02 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 1ypk s LEU 40 CO 0.07 -0.68 0.30 -0.07 -1.32 0.00 0.00 176.35 174.65 1ypk h LEU 41 N 9.43 0.00 -7.57 -0.68 3.38 -0.81 -3.47 115.31 115.60 1ypk h LEU 41 Ca -0.22 -0.40 0.19 0.00 0.09 0.00 0.00 57.88 57.55 1ypk h LEU 41 Cb 1.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1ypk h LEU 41 CO 0.97 0.73 0.53 0.00 0.09 0.00 0.00 178.44 180.76 1ypk s GLY 43 N -2.92 1.67 0.05 0.00 0.00 0.73 -0.56 107.32 106.29 1ypk s GLY 43 Ca 0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 44.72 43.72 1ypk s GLY 43 CO 0.01 -0.47 1.18 0.00 0.00 0.00 0.00 173.10 173.82 1ypk s ALA 44 N -3.21 -2.05 0.01 3.20 0.00 -0.79 -3.40 121.76 115.52 1ypk s ALA 44 Ca 0.59 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1ypk s ALA 44 Cb -0.11 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1ypk s ALA 44 CO 0.45 -1.07 0.01 -1.54 0.00 0.00 0.00 175.76 173.61 1ypk s SER 45 N -3.17 0.11 -0.34 0.00 1.04 -0.01 -0.74 113.70 110.60 1ypk s SER 45 Ca 0.17 -0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.11 1ypk s SER 45 Cb 0.02 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1ypk s SER 45 CO -0.01 -0.19 0.85 -0.22 0.98 0.00 0.00 173.24 174.65 1ypk s LEU 46 N -0.86 4.06 0.00 2.42 2.96 -0.14 -0.53 118.68 126.59 1ypk s LEU 46 Ca -0.09 0.60 0.11 0.00 -0.22 0.00 0.00 54.13 54.53 1ypk s LEU 46 Cb -0.06 -3.16 -0.08 0.00 0.50 0.00 0.00 46.19 43.40 1ypk s LEU 46 CO -0.00 -0.73 0.53 2.30 -1.32 0.00 0.00 176.35 177.13 1ypk n ILE 47 N 5.75 0.00 -3.74 6.68 -5.35 -0.71 -1.63 119.36 120.36 1ypk n ILE 47 Ca 0.05 -0.29 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 1ypk n ILE 47 Cb 0.48 1.05 0.02 0.00 -1.74 0.00 0.00 39.64 39.44 1ypk n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ypk n SER 48 N -0.90 -1.23 0.00 7.28 3.41 -1.18 -4.78 113.62 116.22 1ypk n SER 48 Ca 0.03 -1.67 0.12 0.00 -0.26 0.00 0.00 58.87 57.10 1ypk n SER 48 Cb 0.19 2.01 0.64 0.00 -0.26 0.00 0.00 64.21 66.79 1ypk n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ypk n ASP 49 N -1.10 0.00 0.00 4.04 3.85 -1.26 -3.24 116.55 118.84 1ypk n ASP 49 Ca -0.02 -0.08 0.00 0.00 -0.71 0.00 0.00 54.79 53.98 1ypk n ASP 49 Cb 0.40 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1ypk n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ypk n ARG 50 N -1.28 0.30 -4.49 0.11 1.74 -1.26 -0.16 116.66 111.62 1ypk n ARG 50 Ca 0.12 -0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 56.50 1ypk n ARG 50 Cb 0.20 -0.65 -0.16 0.00 -1.02 0.00 0.00 32.46 30.83 1ypk n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ypk s TRP 51 N -0.15 1.14 -0.04 -1.55 0.52 -1.20 -1.24 118.94 116.41 1ypk s TRP 51 Ca 0.00 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.87 1ypk s TRP 51 Cb 0.00 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.51 1ypk s TRP 51 CO 0.00 -0.12 -0.20 0.08 0.02 0.00 0.00 176.95 176.72 1ypk s VAL 52 N 0.20 1.67 -0.10 4.03 1.01 -0.42 -1.74 120.40 125.04 1ypk s VAL 52 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1ypk s VAL 52 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1ypk s VAL 52 CO 0.01 0.47 0.01 -0.22 0.00 0.00 0.00 175.10 175.37 1ypk s LEU 53 N -0.14 3.59 0.00 3.92 2.96 0.31 -0.69 118.68 128.63 1ypk s LEU 53 Ca -0.01 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1ypk s LEU 53 Cb -0.11 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1ypk s LEU 53 CO 0.02 0.34 0.46 1.07 -1.32 0.00 0.00 176.35 176.92 1ypk n THR 54 N 2.39 0.00 -3.09 3.68 5.66 -0.20 -0.83 114.28 121.90 1ypk n THR 54 Ca -0.18 -1.09 -0.39 0.00 -3.05 0.00 0.00 64.05 59.34 1ypk n THR 54 Cb 0.53 0.79 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 1ypk n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypk s ALA 55 N -2.19 3.49 0.28 1.79 0.00 -1.26 -1.23 121.76 122.64 1ypk s ALA 55 Ca 0.18 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1ypk s ALA 55 Cb -0.02 -2.85 0.58 0.00 0.00 0.00 0.00 23.12 20.83 1ypk s ALA 55 CO 0.13 0.29 1.82 0.00 0.00 0.00 0.00 175.76 178.00 1ypk h ALA 56 N 4.64 1.52 0.00 0.00 0.00 -1.70 -1.66 119.26 122.07 1ypk h ALA 56 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ypk h ALA 56 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ypk h ALA 56 CO 0.66 0.16 0.00 -2.39 0.00 0.00 0.00 179.25 177.68 1ypk n HIS 57 N -4.66 0.79 0.21 0.00 1.44 -1.26 -0.66 115.22 111.08 1ypk n HIS 57 Ca 0.20 0.35 0.09 0.00 -2.01 0.00 0.00 57.72 56.34 1ypk n HIS 57 Cb 0.40 -1.06 0.45 0.00 0.12 0.00 0.00 29.99 29.90 1ypk n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ypk n LEU 59 N -3.49 0.32 -3.68 0.00 4.77 0.17 -4.89 117.00 110.19 1ypk n LEU 59 Ca -0.00 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1ypk n LEU 59 Cb 0.43 0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 1ypk n LEU 59 CO 0.34 0.30 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.14 1ypk s LEU 60 N -4.87 0.50 0.12 2.23 2.96 -0.17 -1.09 118.68 118.37 1ypk s LEU 60 Ca -0.06 -0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 1ypk s LEU 60 Cb 0.03 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.43 1ypk s LEU 60 CO 0.41 -0.28 0.38 -0.47 -1.32 0.00 0.00 176.35 175.06 1ypk s TYR 60 N 2.06 -0.16 0.00 5.38 5.04 0.52 -4.20 117.35 125.98 1ypk s TYR 60 Ca 0.03 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1ypk s TYR 60 Cb -0.14 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1ypk s TYR 60 CO -0.06 -0.69 0.00 -2.30 -1.34 0.00 0.00 175.55 171.16 1ypk n PRO 60 N -0.21 0.00 -0.42 4.97 -0.02 -1.26 -2.33 135.00 135.73 1ypk n PRO 60 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1ypk n PRO 60 Cb 0.64 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.37 1ypk n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ypk n TRP 60 N 0.00 0.94 -4.10 6.00 7.02 -1.26 -4.97 117.44 121.08 1ypk n TRP 60 Ca 0.00 -0.76 -0.30 0.00 -1.02 0.00 0.00 57.50 55.42 1ypk n TRP 60 Cb 0.00 -0.25 -0.03 0.00 -2.42 0.00 0.00 31.31 28.61 1ypk n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1ypk n ASP 60 N -0.06 -1.47 -4.68 -0.99 8.00 -1.18 -4.98 116.55 111.19 1ypk n ASP 60 Ca 0.20 -1.03 -0.36 0.00 0.71 0.00 0.00 54.79 54.30 1ypk n ASP 60 Cb 0.80 -2.81 -0.09 0.00 -0.02 0.00 0.00 41.12 39.00 1ypk n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ypk s LYS 60 N -6.79 4.10 -0.46 -1.24 2.20 -0.99 -4.99 119.74 111.58 1ypk s LYS 60 Ca 0.31 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 1ypk s LYS 60 Cb -0.17 -3.51 0.25 0.00 -1.51 0.00 0.00 37.83 32.89 1ypk s LYS 60 CO 0.91 0.12 0.96 -1.71 -0.36 0.00 0.00 175.35 175.27 1ypk n ASN 60 N 4.10 -2.61 -4.77 1.43 2.85 -1.22 -0.36 115.26 114.68 1ypk n ASN 60 Ca -0.15 -3.03 -0.37 0.00 -0.11 0.00 0.00 54.58 50.92 1ypk n ASN 60 Cb 0.52 1.63 -0.01 0.00 1.24 0.00 0.00 39.78 43.16 1ypk n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ypk s PHE 60 N 0.59 2.92 0.53 1.20 0.08 -0.25 -5.02 117.98 118.02 1ypk s PHE 60 Ca 0.31 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.96 1ypk s PHE 60 Cb 0.23 -3.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1ypk s PHE 60 CO -0.22 -1.44 0.42 0.95 -0.10 0.00 0.00 175.22 174.84 1ypk s THR 60 N -1.54 1.85 0.23 0.64 -4.23 -1.26 -4.96 115.64 106.37 1ypk s THR 60 Ca 0.63 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1ypk s THR 60 Cb -0.28 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.45 1ypk s THR 60 CO 0.35 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.86 1ypk h GLU 61 N 0.77 0.52 0.00 3.99 3.07 -1.94 -1.68 114.58 119.30 1ypk h GLU 61 Ca -0.37 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1ypk h GLU 61 Cb 1.29 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1ypk h GLU 61 CO 0.56 0.34 0.00 0.09 -1.40 0.00 0.00 179.01 178.61 1ypk n ASN 62 N -4.92 0.00 0.13 1.42 4.13 -1.26 -2.53 115.26 112.23 1ypk n ASN 62 Ca 0.12 -0.22 0.13 0.00 1.68 0.00 0.00 54.58 56.28 1ypk n ASN 62 Cb 0.31 -0.21 0.31 0.00 -1.54 0.00 0.00 39.78 38.65 1ypk n ASN 62 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1ypk h ASP 63 N 0.00 0.00 -3.73 6.41 3.32 -1.69 -3.47 116.42 117.25 1ypk h ASP 63 Ca 0.00 -0.02 -0.37 0.00 0.02 0.00 0.00 57.03 56.66 1ypk h ASP 63 Cb 0.16 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 1ypk h ASP 63 CO 0.00 0.01 -0.70 -0.76 -1.72 0.00 0.00 179.24 176.07 1ypk s LEU 64 N -4.96 2.47 0.11 1.55 1.43 -1.05 -1.82 118.68 116.41 1ypk s LEU 64 Ca 0.09 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1ypk s LEU 64 Cb 0.10 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 1ypk s LEU 64 CO 0.63 -0.33 -0.18 -0.76 0.23 0.00 0.00 176.35 175.94 1ypk s LEU 65 N -3.24 2.34 -0.08 1.79 1.43 -0.13 -4.50 118.68 116.30 1ypk s LEU 65 Ca 0.21 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1ypk s LEU 65 Cb 0.03 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1ypk s LEU 65 CO 0.04 -0.03 -0.11 0.68 0.23 0.00 0.00 176.35 177.16 1ypk s VAL 66 N -1.56 3.31 -0.22 -1.59 -7.23 -0.50 -1.13 120.40 111.48 1ypk s VAL 66 Ca 0.07 -0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1ypk s VAL 66 Cb -0.08 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 1ypk s VAL 66 CO 0.04 0.57 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.25 1ypk s ARG 67 N -0.48 3.43 -0.06 4.82 0.52 0.13 -0.58 118.95 126.73 1ypk s ARG 67 Ca 0.07 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1ypk s ARG 67 Cb -0.12 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1ypk s ARG 67 CO 0.02 -0.17 -0.18 0.42 0.02 0.00 0.00 175.30 175.41 1ypk s ILE 68 N 1.44 2.75 0.00 1.52 1.01 0.75 -1.03 121.20 127.64 1ypk s ILE 68 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ypk s ILE 68 Cb -0.14 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1ypk s ILE 68 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1ypk n GLY 69 N 2.56 0.90 3.88 6.18 0.00 -1.26 0.19 105.19 117.64 1ypk n GLY 69 Ca -0.17 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1ypk n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypk s LYS 70 N -0.77 3.75 0.19 1.61 1.02 -1.26 -4.17 119.74 120.11 1ypk s LYS 70 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1ypk s LYS 70 Cb 0.00 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1ypk s LYS 70 CO 0.00 -0.06 0.00 1.58 -0.92 0.00 0.00 175.35 175.95 1ypk n HIS 71 N -1.41 -1.38 -2.05 3.18 -0.00 -1.26 -4.93 115.22 107.37 1ypk n HIS 71 Ca 0.02 0.24 -0.38 0.00 -0.00 0.00 0.00 57.72 57.60 1ypk n HIS 71 Cb 0.54 0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 1ypk n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ypk s SER 72 N -5.31 6.03 -0.07 0.26 0.15 -1.26 -0.68 113.70 112.82 1ypk s SER 72 Ca 0.00 2.58 -0.26 0.00 0.70 0.00 0.00 55.95 58.96 1ypk s SER 72 Cb 0.00 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.45 1ypk s SER 72 CO 0.00 -1.03 1.01 -0.09 1.20 0.00 0.00 173.24 174.33 1ypk h ARG 73 N 2.21 0.07 0.00 5.44 2.43 -1.13 -3.38 114.38 120.02 1ypk h ARG 73 Ca -0.50 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1ypk h ARG 73 Cb 1.26 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ypk h ARG 73 CO 0.61 0.83 -1.82 0.25 -1.51 0.00 0.00 179.97 178.32 1ypk n THR 74 N -4.64 0.00 -2.25 0.20 -2.24 -1.26 -4.98 114.28 99.11 1ypk n THR 74 Ca -0.09 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 1ypk n THR 74 Cb 0.43 0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1ypk n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ypk s ARG 75 N -3.36 3.46 -0.30 -0.78 3.52 -1.26 -4.98 118.95 115.25 1ypk s ARG 75 Ca -0.06 1.67 -0.28 0.00 -0.13 0.00 0.00 55.73 56.93 1ypk s ARG 75 Cb 0.13 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1ypk s ARG 75 CO 0.85 -0.77 1.02 -0.47 -0.81 0.00 0.00 175.30 175.12 1ypk s TYR 76 N -1.70 3.19 -1.10 5.12 5.04 -1.26 -4.81 117.35 121.84 1ypk s TYR 76 Ca 0.70 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 56.44 1ypk s TYR 76 Cb -0.25 -3.53 0.29 0.00 0.35 0.00 0.00 41.96 38.81 1ypk s TYR 76 CO 0.29 -0.68 1.22 0.39 -1.34 0.00 0.00 175.55 175.43 1ypk n GLU 77 N 6.65 3.80 -1.60 4.97 1.02 -1.26 -3.53 120.64 130.69 1ypk n GLU 77 Ca 0.11 -4.49 -0.56 0.00 -0.02 0.00 0.00 57.16 52.20 1ypk n GLU 77 Cb 0.47 -2.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.29 1ypk n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ypk n ARG 77 N 2.22 0.78 -0.99 3.49 0.63 -1.26 -1.02 116.66 120.52 1ypk n ARG 77 Ca 0.25 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1ypk n ARG 77 Cb 0.37 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 31.40 1ypk n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ypk n ASN 78 N 2.80 -3.43 0.04 6.15 4.13 -1.26 -4.78 115.26 118.91 1ypk n ASN 78 Ca 0.21 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1ypk n ASN 78 Cb 0.14 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 1ypk n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ypk n ILE 79 N -2.66 0.16 -1.84 2.41 5.41 -0.19 -5.07 119.36 117.59 1ypk n ILE 79 Ca 0.00 0.05 -0.34 0.00 1.00 0.00 0.00 62.75 63.46 1ypk n ILE 79 Cb 0.12 -0.57 0.04 0.00 -0.71 0.00 0.00 39.64 38.52 1ypk n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ypk s GLU 80 N -1.34 2.83 -0.03 0.38 -1.05 -0.19 -4.78 118.70 114.52 1ypk s GLU 80 Ca 0.00 1.55 0.06 0.00 -0.15 0.00 0.00 54.97 56.43 1ypk s GLU 80 Cb 0.00 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.74 1ypk s GLU 80 CO 0.00 -1.25 -0.21 0.15 0.95 0.00 0.00 175.26 174.89 1ypk s LYS 81 N -3.80 1.93 -0.15 -4.83 -0.14 0.13 -4.88 119.74 108.00 1ypk s LYS 81 Ca 0.71 -0.77 -0.02 0.00 -1.36 0.00 0.00 55.97 54.52 1ypk s LYS 81 Cb -0.24 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1ypk s LYS 81 CO 0.38 0.40 -0.08 0.42 -0.76 0.00 0.00 175.35 175.71 1ypk s ILE 82 N -0.32 3.48 0.04 2.17 1.01 -1.26 -0.18 121.20 126.15 1ypk s ILE 82 Ca 0.03 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1ypk s ILE 82 Cb -0.10 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1ypk s ILE 82 CO 0.01 0.50 -0.21 -0.44 0.00 0.00 0.00 174.94 174.80 1ypk s SER 83 N 0.51 2.49 0.19 3.58 0.01 0.25 -4.98 113.70 115.75 1ypk s SER 83 Ca -0.06 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1ypk s SER 83 Cb -0.15 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1ypk s SER 83 CO 0.03 0.16 0.36 -0.04 0.41 0.00 0.00 173.24 174.17 1ypk s MET 84 N -1.19 3.49 -0.05 12.44 -1.94 -1.26 -1.40 119.30 129.38 1ypk s MET 84 Ca 0.07 -0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 53.42 1ypk s MET 84 Cb -0.09 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1ypk s MET 84 CO 0.02 0.43 0.54 -0.51 -0.01 0.00 0.00 175.02 175.49 1ypk s LEU 85 N -3.38 4.36 -0.20 -0.03 1.02 -1.26 -1.05 118.68 118.14 1ypk s LEU 85 Ca 0.37 1.01 -0.20 0.00 0.02 0.00 0.00 54.13 55.33 1ypk s LEU 85 Cb -0.11 -2.82 -0.20 0.00 0.02 0.00 0.00 46.19 43.09 1ypk s LEU 85 CO 0.29 0.06 0.23 -0.08 0.02 0.00 0.00 176.35 176.87 1ypk h GLU 86 N 6.09 0.03 -2.35 1.70 4.81 -0.79 -3.43 114.58 120.64 1ypk h GLU 86 Ca -0.44 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1ypk h GLU 86 Cb 1.19 0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 1ypk h GLU 86 CO 0.72 1.03 -0.03 0.21 -0.73 0.00 0.00 179.01 180.20 1ypk s LYS 87 N -2.39 0.70 -0.16 1.92 2.47 -1.04 -4.98 119.74 116.26 1ypk s LYS 87 Ca -0.28 0.72 -0.08 0.00 -1.56 0.00 0.00 55.97 54.77 1ypk s LYS 87 Cb 0.06 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 1ypk s LYS 87 CO 0.61 -0.10 0.11 0.42 0.16 0.00 0.00 175.35 176.55 1ypk s ILE 88 N 0.13 5.24 -0.20 5.43 1.01 -1.26 -0.54 121.20 131.00 1ypk s ILE 88 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1ypk s ILE 88 Cb -0.04 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1ypk s ILE 88 CO 0.02 0.51 -0.10 -0.31 0.00 0.00 0.00 174.94 175.06 1ypk s TYR 89 N -0.17 2.39 -0.14 3.97 1.51 0.53 -5.01 117.35 120.42 1ypk s TYR 89 Ca 0.10 -1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 54.49 1ypk s TYR 89 Cb -0.12 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1ypk s TYR 89 CO 0.01 -0.74 0.13 0.42 -1.11 0.00 0.00 175.55 174.26 1ypk s ILE 90 N 1.40 5.43 -0.16 2.71 1.01 -1.26 -0.77 121.20 129.56 1ypk s ILE 90 Ca -0.02 0.18 -0.39 0.00 0.00 0.00 0.00 60.65 60.42 1ypk s ILE 90 Cb -0.16 -3.40 -0.16 0.00 0.01 0.00 0.00 42.46 38.75 1ypk s ILE 90 CO -0.08 0.56 1.60 1.57 0.00 0.00 0.00 174.94 178.59 1ypk n HIS 91 N 2.47 1.85 0.29 3.97 -0.00 -1.01 -4.84 115.22 117.94 1ypk n HIS 91 Ca -0.19 0.59 0.12 0.00 -0.00 0.00 0.00 57.72 58.24 1ypk n HIS 91 Cb 0.54 -2.41 0.54 0.00 -0.00 0.00 0.00 29.99 28.66 1ypk n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ypk n PRO 92 N 4.36 0.17 -0.20 1.57 -0.04 -1.26 -1.68 135.00 137.92 1ypk n PRO 92 Ca 0.24 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.29 1ypk n PRO 92 Cb 0.14 -1.92 0.15 0.00 -0.04 0.00 0.00 33.50 31.83 1ypk n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ypk n ARG 93 N -2.26 2.66 -1.68 0.54 1.74 -1.26 -4.99 116.66 111.41 1ypk n ARG 93 Ca 0.00 -2.26 -0.49 0.00 -0.77 0.00 0.00 57.85 54.34 1ypk n ARG 93 Cb 0.14 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1ypk n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ypk n TYR 94 N -0.30 2.31 -3.33 -1.55 9.36 -0.68 -4.72 117.16 118.25 1ypk n TYR 94 Ca 0.13 0.03 -0.45 0.00 3.32 0.00 0.00 57.90 60.93 1ypk n TYR 94 Cb 0.56 -2.65 -0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1ypk n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ypk s ASN 95 N 4.02 7.32 0.43 2.98 3.84 0.11 -4.77 114.94 128.86 1ypk s ASN 95 Ca 0.93 -3.58 0.27 0.00 0.21 0.00 0.00 52.86 50.70 1ypk s ASN 95 Cb -0.72 -2.21 0.85 0.00 -0.55 0.00 0.00 41.25 38.61 1ypk s ASN 95 CO 0.52 -0.30 1.78 4.11 -2.79 0.00 0.00 177.10 180.42 1ypk h TRP 96 N 6.69 0.00 -0.07 0.43 5.08 -1.91 0.47 115.95 126.64 1ypk h TRP 96 Ca 0.18 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.99 1ypk h TRP 96 Cb 0.88 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 1ypk h TRP 96 CO 0.77 0.00 -0.68 0.00 -1.28 0.00 0.00 178.44 177.25 1ypk h ARG 97 N 0.00 0.29 0.00 0.12 3.08 -1.99 -3.44 114.38 112.44 1ypk h ARG 97 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ypk h ARG 97 Cb 0.72 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1ypk h ARG 97 CO 0.00 0.86 0.00 -1.91 -1.07 0.00 0.00 179.97 177.85 1ypk n GLU 97 N -3.83 0.00 -0.15 0.04 2.13 -1.23 -4.99 120.64 112.61 1ypk n GLU 97 Ca -0.03 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.80 1ypk n GLU 97 Cb 0.67 -0.11 0.01 0.00 0.27 0.00 0.00 31.44 32.28 1ypk n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ypk n ASN 98 N -1.89 0.48 -1.53 4.31 0.23 -1.17 -5.00 115.26 110.69 1ypk n ASN 98 Ca 0.00 -1.60 -0.14 0.00 -0.53 0.00 0.00 54.58 52.30 1ypk n ASN 98 Cb 0.00 -0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 37.59 1ypk n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ypk n LEU 99 N -0.19 -1.54 -4.74 -4.53 4.77 0.16 -4.96 117.00 105.98 1ypk n LEU 99 Ca 0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1ypk n LEU 99 Cb 0.53 -2.16 0.01 0.00 -2.33 0.00 0.00 43.42 39.47 1ypk n LEU 99 CO 0.00 -0.26 1.00 -0.67 -1.33 0.00 0.00 177.39 176.13 1ypk n ASP 100 N -0.65 3.14 -3.41 -1.43 2.03 -1.23 -2.68 116.55 112.31 1ypk n ASP 100 Ca -0.16 1.17 -0.17 0.00 0.52 0.00 0.00 54.79 56.15 1ypk n ASP 100 Cb 0.60 -1.55 0.09 0.00 -0.72 0.00 0.00 41.12 39.53 1ypk n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ypk n ARG 101 N 0.22 -6.51 -2.49 -0.67 1.74 -1.26 0.07 116.66 107.76 1ypk n ARG 101 Ca 0.04 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 1ypk n ARG 101 Cb 0.39 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 25.98 1ypk n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ypk n ASP 102 N -3.12 4.82 -3.74 0.55 2.03 -1.09 -4.29 116.55 111.71 1ypk n ASP 102 Ca -0.28 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 51.97 1ypk n ASP 102 Cb 0.67 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 1ypk n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ypk s ILE 103 N 3.64 0.01 -0.08 5.18 2.07 -1.26 -3.91 121.20 126.84 1ypk s ILE 103 Ca 0.51 -0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.49 1ypk s ILE 103 Cb 0.05 -0.57 0.04 0.00 0.13 0.00 0.00 42.46 42.11 1ypk s ILE 103 CO 0.04 -0.04 0.46 0.00 -1.91 0.00 0.00 174.94 173.50 1ypk s ALA 104 N -0.04 -1.18 0.05 1.50 0.00 -0.36 -2.39 121.76 119.33 1ypk s ALA 104 Ca -0.02 0.92 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1ypk s ALA 104 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1ypk s ALA 104 CO 0.01 -0.28 -0.12 -0.51 0.00 0.00 0.00 175.76 174.86 1ypk s LEU 105 N -0.80 2.93 -0.10 0.00 1.43 0.05 -1.03 118.68 121.16 1ypk s LEU 105 Ca -0.09 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1ypk s LEU 105 Cb -0.03 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1ypk s LEU 105 CO 0.05 0.24 -0.09 -0.04 0.23 0.00 0.00 176.35 176.74 1ypk s MET 106 N -1.69 1.58 -0.17 1.70 -1.94 0.13 -0.35 119.30 118.56 1ypk s MET 106 Ca 0.18 -0.30 -0.14 0.00 -1.71 0.00 0.00 55.69 53.72 1ypk s MET 106 Cb -0.11 -1.54 -0.05 0.00 2.01 0.00 0.00 34.83 35.14 1ypk s MET 106 CO 0.09 -0.19 0.28 0.21 -0.01 0.00 0.00 175.02 175.40 1ypk s LYS 107 N 1.42 4.25 0.46 2.03 2.20 0.29 -1.30 119.74 129.10 1ypk s LYS 107 Ca -0.00 0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.52 1ypk s LYS 107 Cb -0.13 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 1ypk s LYS 107 CO -0.05 0.22 0.92 -0.51 -0.36 0.00 0.00 175.35 175.57 1ypk s LEU 108 N 0.52 3.77 0.39 5.43 1.43 -0.38 -0.16 118.68 129.67 1ypk s LEU 108 Ca 0.16 1.50 0.13 0.00 -1.03 0.00 0.00 54.13 54.88 1ypk s LEU 108 Cb -0.13 -4.39 0.78 0.00 0.03 0.00 0.00 46.19 42.47 1ypk s LEU 108 CO 0.04 -0.47 1.86 0.11 0.23 0.00 0.00 176.35 178.11 1ypk h LYS 109 N 1.31 0.00 -3.64 1.70 1.57 -1.36 -3.41 116.57 112.73 1ypk h LYS 109 Ca -0.47 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1ypk h LYS 109 Cb 1.18 -0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.27 1ypk h LYS 109 CO 0.62 0.33 -0.58 0.15 -0.57 0.00 0.00 179.45 179.41 1ypk s LYS 110 N -4.29 0.34 0.60 3.15 1.02 -1.26 -5.00 119.74 114.31 1ypk s LYS 110 Ca -0.03 -0.33 -0.19 0.00 0.02 0.00 0.00 55.97 55.44 1ypk s LYS 110 Cb 0.15 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1ypk s LYS 110 CO 0.72 -0.07 1.25 -1.25 -0.92 0.00 0.00 175.35 175.08 1ypk s PRO 111 N -1.05 2.89 -0.09 -1.68 0.04 -1.26 -4.84 135.00 129.02 1ypk s PRO 111 Ca -0.11 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1ypk s PRO 111 Cb -0.07 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1ypk s PRO 111 CO 0.00 -1.30 0.24 0.54 0.04 0.00 0.00 177.00 176.52 1ypk s VAL 112 N -1.50 5.33 -0.10 -0.36 0.11 0.77 -5.00 120.40 119.66 1ypk s VAL 112 Ca 0.78 0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 59.98 1ypk s VAL 112 Cb -0.34 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1ypk s VAL 112 CO 0.37 0.58 1.44 0.00 -3.33 0.00 0.00 175.10 174.15 1ypk s ALA 113 N -0.84 3.63 0.63 1.54 0.00 -1.26 -4.78 121.76 120.68 1ypk s ALA 113 Ca 0.18 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 1ypk s ALA 113 Cb -0.14 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 1ypk s ALA 113 CO 0.07 -1.22 1.05 -0.06 0.00 0.00 0.00 175.76 175.60 1ypk s PHE 114 N 3.55 3.10 0.37 0.00 0.08 -1.26 -4.88 117.98 118.94 1ypk s PHE 114 Ca 0.63 1.46 -0.15 0.00 0.12 0.00 0.00 56.93 59.00 1ypk s PHE 114 Cb -0.28 -2.93 0.06 0.00 -0.57 0.00 0.00 43.02 39.31 1ypk s PHE 114 CO 0.22 -1.09 0.79 -1.13 -0.10 0.00 0.00 175.22 173.91 1ypk n SER 115 N -2.47 -2.20 0.27 1.36 3.41 -0.61 -4.95 113.62 108.43 1ypk n SER 115 Ca 0.08 -2.50 0.11 0.00 -0.26 0.00 0.00 58.87 56.30 1ypk n SER 115 Cb 0.53 3.66 0.73 0.00 -0.26 0.00 0.00 64.21 68.88 1ypk n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ypk h ASP 116 N 1.92 0.00 -0.00 4.04 3.32 -1.99 -2.82 116.42 120.89 1ypk h ASP 116 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1ypk h ASP 116 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1ypk h ASP 116 CO 0.41 0.06 -0.78 -1.22 -1.72 0.00 0.00 179.24 175.99 1ypk n TYR 117 N -4.05 0.00 -3.80 4.55 4.01 -1.26 -4.76 117.16 111.85 1ypk n TYR 117 Ca -0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1ypk n TYR 117 Cb 0.15 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.01 1ypk n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ypk s ILE 118 N -2.62 0.73 -0.26 -0.72 1.01 -1.07 -4.19 121.20 114.08 1ypk s ILE 118 Ca 0.08 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 1ypk s ILE 118 Cb 0.14 -1.09 0.07 0.00 0.01 0.00 0.00 42.46 41.60 1ypk s ILE 118 CO 0.70 -0.05 0.75 -2.28 0.00 0.00 0.00 174.94 174.06 1ypk s HIS 119 N 1.78 -0.75 0.41 3.97 2.46 -0.29 -1.57 115.29 121.29 1ypk s HIS 119 Ca -0.00 1.82 -0.23 0.00 0.47 0.00 0.00 55.06 57.12 1ypk s HIS 119 Cb -0.16 0.28 -0.10 0.00 -0.13 0.00 0.00 32.58 32.48 1ypk s HIS 119 CO -0.07 -0.38 0.99 -1.25 -2.47 0.00 0.00 174.74 171.57 1ypk s PRO 120 N 0.30 4.20 0.52 2.88 0.04 -1.26 -2.33 135.00 139.34 1ypk s PRO 120 Ca -0.00 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.30 1ypk s PRO 120 Cb -0.05 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1ypk s PRO 120 CO 0.01 -0.07 0.84 0.54 0.04 0.00 0.00 177.00 178.36 1ypk s VAL 121 N -1.87 4.79 0.24 -0.36 0.11 -0.64 -4.91 120.40 117.76 1ypk s VAL 121 Ca 0.59 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.84 1ypk s VAL 121 Cb -0.16 -3.84 -0.08 0.00 -1.53 0.00 0.00 36.38 30.77 1ypk s VAL 121 CO 0.21 -0.89 0.62 0.00 -3.33 0.00 0.00 175.10 171.71 1ypk s LEU 123 N -2.65 4.38 0.50 0.00 1.43 -1.26 -0.45 118.68 120.63 1ypk s LEU 123 Ca 0.47 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.79 1ypk s LEU 123 Cb -0.12 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 1ypk s LEU 123 CO 0.20 0.34 1.05 -2.16 0.23 0.00 0.00 176.35 176.01 1ypk s PRO 124 N -1.47 3.69 0.58 1.29 0.04 -1.26 -4.93 135.00 132.95 1ypk s PRO 124 Ca 0.21 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.74 1ypk s PRO 124 Cb -0.12 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1ypk s PRO 124 CO 0.11 -0.53 0.77 0.16 0.04 0.00 0.00 177.00 177.55 1ypk s ASP 125 N -2.00 5.01 0.27 6.66 1.47 -1.26 -4.81 116.67 122.00 1ypk s ASP 125 Ca 0.68 -0.92 -0.02 0.00 1.18 0.00 0.00 52.55 53.47 1ypk s ASP 125 Cb -0.18 0.39 0.44 0.00 -0.34 0.00 0.00 42.92 43.23 1ypk s ASP 125 CO 0.22 -1.36 1.87 -0.09 0.68 0.00 0.00 175.17 176.49 1ypk h ARG 126 N 0.20 1.10 -0.16 2.11 2.43 -1.98 -2.29 114.38 115.79 1ypk h ARG 126 Ca -0.30 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.62 1ypk h ARG 126 Cb 1.29 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ypk h ARG 126 CO 0.42 0.73 -0.67 0.93 -1.51 0.00 0.00 179.97 179.87 1ypk h GLU 127 N 1.13 0.61 -1.63 0.20 3.07 -2.04 0.65 114.58 116.57 1ypk h GLU 127 Ca 0.45 -0.45 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ypk h GLU 127 Cb 0.25 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1ypk h GLU 127 CO -0.20 1.07 0.00 -2.37 -1.40 0.00 0.00 179.01 176.11 1ypk n THR 128 N -3.92 0.74 0.00 1.13 5.66 -0.86 -1.01 114.28 116.01 1ypk n THR 128 Ca -0.05 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1ypk n THR 128 Cb 0.68 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 1ypk n THR 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypk n ALA 129 N 1.06 0.00 0.04 1.79 0.00 0.22 -0.99 120.51 122.62 1ypk n ALA 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ypk n ALA 129 Cb 0.28 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.76 1ypk n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypk h SER 129 N 0.00 0.53 0.00 0.00 4.64 -1.32 -3.38 113.55 114.01 1ypk h SER 129 Ca 0.00 -0.32 -0.33 0.00 -0.47 0.00 0.00 61.79 60.67 1ypk h SER 129 Cb 0.00 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 1ypk h SER 129 CO 0.00 1.05 -2.24 0.18 -0.87 0.00 0.00 176.83 174.95 1ypk n LEU 129 N -3.88 0.17 -3.85 5.97 4.77 -0.17 -4.71 117.00 115.31 1ypk n LEU 129 Ca -0.04 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1ypk n LEU 129 Cb 0.67 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1ypk n LEU 129 CO 0.48 0.47 2.42 -0.11 -1.33 0.00 0.00 177.39 179.31 1ypk n LEU 130 N -2.69 6.63 -4.22 2.23 7.94 -1.26 -4.79 117.00 120.83 1ypk n LEU 130 Ca -0.30 -4.26 -0.27 0.00 -1.11 0.00 0.00 56.01 50.07 1ypk n LEU 130 Cb 1.08 -1.62 -0.15 0.00 0.53 0.00 0.00 43.42 43.25 1ypk n LEU 130 CO 0.37 1.10 -0.53 -1.10 -1.11 0.00 0.00 177.39 176.12 1ypk s GLN 131 N 2.51 1.63 0.21 1.96 -0.21 -1.26 -4.93 119.66 119.57 1ypk s GLN 131 Ca 0.46 -0.77 -0.32 0.00 0.02 0.00 0.00 55.36 54.74 1ypk s GLN 131 Cb 0.12 -1.60 -0.14 0.00 1.00 0.00 0.00 33.01 32.39 1ypk s GLN 131 CO -0.05 0.44 1.43 0.00 -2.12 0.00 0.00 175.29 174.99 1ypk n ALA 132 N 2.46 1.00 0.00 6.09 0.00 -1.26 -1.70 120.51 127.09 1ypk n ALA 132 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ypk n ALA 132 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1ypk n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypk n GLY 133 N 2.46 2.98 3.75 0.00 0.00 -0.44 -4.97 105.19 108.98 1ypk n GLY 133 Ca 0.13 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1ypk n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypk s TYR 134 N -1.92 3.04 0.01 1.61 1.51 -0.69 -4.60 117.35 116.30 1ypk s TYR 134 Ca 0.00 1.17 -0.10 0.00 -1.01 0.00 0.00 57.07 57.13 1ypk s TYR 134 Cb 0.00 -3.76 -0.05 0.00 -0.11 0.00 0.00 41.96 38.04 1ypk s TYR 134 CO 0.00 -2.35 0.33 0.15 -1.11 0.00 0.00 175.55 172.57 1ypk s LYS 135 N -0.83 3.71 0.40 -0.62 1.02 -1.26 -1.47 119.74 120.68 1ypk s LYS 135 Ca 0.56 0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.70 1ypk s LYS 135 Cb -0.41 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1ypk s LYS 135 CO 0.46 0.65 0.13 0.41 -0.92 0.00 0.00 175.35 176.09 1ypk n GLY 136 N 1.39 3.33 2.98 -3.33 0.00 0.06 -4.82 105.19 104.79 1ypk n GLY 136 Ca -0.12 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.37 1ypk n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ypk s ARG 137 N -3.52 1.27 -0.02 1.61 3.52 0.45 -1.24 118.95 121.03 1ypk s ARG 137 Ca 0.10 -0.29 0.07 0.00 -0.13 0.00 0.00 55.73 55.48 1ypk s ARG 137 Cb -0.01 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.24 1ypk s ARG 137 CO 0.06 0.01 -0.23 0.08 -0.81 0.00 0.00 175.30 174.41 1ypk s VAL 138 N 0.66 2.28 0.05 7.11 1.01 0.50 -1.00 120.40 131.01 1ypk s VAL 138 Ca -0.12 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1ypk s VAL 138 Cb -0.14 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1ypk s VAL 138 CO 0.02 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 175.99 1ypk s THR 139 N -0.66 0.75 0.00 3.92 -4.23 -1.24 -1.03 115.64 113.14 1ypk s THR 139 Ca 0.11 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1ypk s THR 139 Cb -0.10 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1ypk s THR 139 CO -0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1ypk n GLY 140 N 1.51 0.66 1.29 3.99 0.00 -0.71 -4.56 105.19 107.37 1ypk n GLY 140 Ca -0.22 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1ypk n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ypk n TRP 141 N -0.19 1.31 -1.05 1.61 8.01 -1.26 -1.70 117.44 124.17 1ypk n TRP 141 Ca 0.00 -0.72 -0.30 0.00 -1.31 0.00 0.00 57.50 55.17 1ypk n TRP 141 Cb 0.00 -0.31 0.24 0.00 -2.01 0.00 0.00 31.31 29.23 1ypk n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ypk s GLY 142 N -1.26 1.57 0.45 6.99 0.00 -1.25 -4.58 107.32 109.24 1ypk s GLY 142 Ca 0.45 -0.90 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 1ypk s GLY 142 CO 0.16 -0.03 1.05 0.70 0.00 0.00 0.00 173.10 174.98 1ypk n ASN 143 N -4.77 1.41 0.11 1.64 3.02 0.15 -3.13 115.26 113.69 1ypk n ASN 143 Ca 0.13 1.01 0.13 0.00 -0.03 0.00 0.00 54.58 55.81 1ypk n ASN 143 Cb 0.59 -1.39 0.31 0.00 -0.61 0.00 0.00 39.78 38.69 1ypk n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ypk h LEU 144 N 1.45 0.00 -7.62 3.41 3.38 -1.29 0.89 115.31 115.53 1ypk h LEU 144 Ca -0.46 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 1ypk h LEU 144 Cb 1.33 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.89 1ypk h LEU 144 CO 0.56 0.02 -0.35 -0.54 0.09 0.00 0.00 178.44 178.22 1ypk s LYS 145 N -3.14 0.64 0.14 1.13 1.02 -1.26 -4.31 119.74 113.96 1ypk s LYS 145 Ca 0.09 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 1ypk s LYS 145 Cb 0.11 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1ypk s LYS 145 CO 0.64 -0.18 1.78 1.49 -0.92 0.00 0.00 175.35 178.16 1ypk h GLU 146 N 3.83 0.35 -1.32 1.68 4.81 -1.90 -3.48 114.58 118.55 1ypk h GLU 146 Ca -0.31 -0.02 -0.40 0.00 -0.13 0.00 0.00 59.36 58.51 1ypk h GLU 146 Cb 1.19 -0.08 -0.34 0.00 0.63 0.00 0.00 28.75 30.15 1ypk h GLU 146 CO 0.42 0.23 -1.00 0.25 -0.73 0.00 0.00 179.01 178.18 1ypk n THR 147 N -4.92 0.08 0.00 0.32 -2.24 -1.26 -4.95 114.28 101.31 1ypk n THR 147 Ca -0.01 -3.53 0.00 0.00 -2.27 0.00 0.00 64.05 58.24 1ypk n THR 147 Cb 0.05 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1ypk n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ypk n GLY 150 N 0.18 1.26 3.42 3.38 0.00 -1.26 -5.11 105.19 107.07 1ypk n GLY 150 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ypk n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ypk s GLN 151 N 2.10 2.11 0.57 1.61 -1.52 -1.26 -1.13 119.66 122.14 1ypk s GLN 151 Ca 0.00 -0.95 -0.16 0.00 -1.95 0.00 0.00 55.36 52.31 1ypk s GLN 151 Cb 0.00 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.58 1ypk s GLN 151 CO 0.00 0.55 1.03 -1.25 -0.25 0.00 0.00 175.29 175.37 1ypk s PRO 152 N -1.15 3.53 0.10 2.91 0.04 -1.26 -4.97 135.00 134.20 1ypk s PRO 152 Ca 0.13 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.31 1ypk s PRO 152 Cb -0.10 -2.07 -0.22 0.00 0.04 0.00 0.00 34.50 32.15 1ypk s PRO 152 CO 0.03 -0.63 1.21 0.66 0.04 0.00 0.00 177.00 178.32 1ypk h SER 153 N 0.51 0.04 -4.11 6.66 4.64 -1.97 -3.43 113.55 115.89 1ypk h SER 153 Ca -0.47 -0.05 -0.35 0.00 -0.47 0.00 0.00 61.79 60.46 1ypk h SER 153 Cb 1.21 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1ypk h SER 153 CO 0.59 1.04 -0.66 0.68 -0.87 0.00 0.00 176.83 177.61 1ypk s VAL 154 N -2.70 0.89 0.11 0.95 -7.23 -1.26 -0.61 120.40 110.55 1ypk s VAL 154 Ca -0.00 -2.02 -0.35 0.00 -1.81 0.00 0.00 61.98 57.80 1ypk s VAL 154 Cb 0.10 -2.30 -0.17 0.00 0.56 0.00 0.00 36.38 34.57 1ypk s VAL 154 CO 0.83 -0.34 1.20 -0.11 -0.31 0.00 0.00 175.10 176.36 1ypk n LEU 155 N -0.37 1.26 -4.76 1.32 7.94 0.15 -4.82 117.00 117.73 1ypk n LEU 155 Ca -0.05 1.13 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 1ypk n LEU 155 Cb 0.64 -1.15 -0.07 0.00 0.53 0.00 0.00 43.42 43.37 1ypk n LEU 155 CO 0.36 -1.34 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.92 1ypk s GLN 156 N 0.01 2.82 0.02 1.96 -1.52 -0.69 -0.60 119.66 121.67 1ypk s GLN 156 Ca 0.80 -0.71 0.03 0.00 -1.95 0.00 0.00 55.36 53.53 1ypk s GLN 156 Cb -0.95 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 1ypk s GLN 156 CO 0.51 0.56 -0.11 0.54 -0.25 0.00 0.00 175.29 176.55 1ypk s VAL 157 N -1.36 0.82 -0.11 1.09 0.11 0.50 -1.75 120.40 119.69 1ypk s VAL 157 Ca 0.28 -0.70 -0.10 0.00 -2.93 0.00 0.00 61.98 58.53 1ypk s VAL 157 Cb -0.12 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1ypk s VAL 157 CO 0.21 0.05 0.30 0.54 -3.33 0.00 0.00 175.10 172.87 1ypk s VAL 158 N -0.60 -0.00 -0.16 2.04 0.11 -0.20 -1.28 120.40 120.32 1ypk s VAL 158 Ca 0.01 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1ypk s VAL 158 Cb -0.06 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1ypk s VAL 158 CO 0.00 0.00 0.07 0.20 -3.33 0.00 0.00 175.10 172.05 1ypk s ASN 159 N 0.22 5.76 0.00 3.54 0.01 -1.26 -0.37 114.94 122.84 1ypk s ASN 159 Ca -0.00 0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.32 1ypk s ASN 159 Cb -0.02 -1.93 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 1ypk s ASN 159 CO -0.00 0.24 -0.02 -0.76 -1.51 0.00 0.00 177.10 175.05 1ypk s LEU 160 N -0.02 2.04 0.26 0.60 1.43 -0.37 -4.96 118.68 117.65 1ypk s LEU 160 Ca 0.07 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1ypk s LEU 160 Cb -0.12 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 1ypk s LEU 160 CO 0.01 -0.02 1.00 -2.16 0.23 0.00 0.00 176.35 175.40 1ypk s PRO 161 N -0.25 4.76 0.33 1.29 0.04 -1.26 -0.76 135.00 139.15 1ypk s PRO 161 Ca -0.01 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1ypk s PRO 161 Cb -0.02 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 1ypk s PRO 161 CO -0.00 0.39 1.39 0.42 0.04 0.00 0.00 177.00 179.24 1ypk s ILE 162 N -1.20 2.47 0.08 0.56 1.01 -0.54 -0.50 121.20 123.09 1ypk s ILE 162 Ca 0.43 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.59 1ypk s ILE 162 Cb -0.28 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ypk s ILE 162 CO 0.35 0.10 -0.01 -0.69 0.00 0.00 0.00 174.94 174.69 1ypk s VAL 163 N -0.96 3.94 0.24 2.92 1.01 -0.39 -1.33 120.40 125.84 1ypk s VAL 163 Ca 0.52 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1ypk s VAL 163 Cb -0.42 -2.86 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 1ypk s VAL 163 CO 0.55 0.14 1.50 -0.62 0.00 0.00 0.00 175.10 176.67 1ypk n GLU 164 N 0.65 2.27 -0.27 2.72 4.71 -1.26 -4.66 120.64 124.80 1ypk n GLU 164 Ca -0.11 0.81 -0.01 0.00 -0.01 0.00 0.00 57.16 57.83 1ypk n GLU 164 Cb 0.52 -2.53 0.11 0.00 -1.01 0.00 0.00 31.44 28.53 1ypk n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ypk h ARG 165 N 4.76 0.82 -0.39 3.49 3.08 -1.98 -0.24 114.38 123.91 1ypk h ARG 165 Ca -0.45 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1ypk h ARG 165 Cb 1.25 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1ypk h ARG 165 CO 0.80 0.54 0.11 -1.35 -1.07 0.00 0.00 179.97 179.00 1ypk h PRO 166 N 0.84 0.57 -0.39 0.04 0.11 -1.99 -0.65 132.00 130.53 1ypk h PRO 166 Ca 0.32 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 1ypk h PRO 166 Cb 0.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1ypk h PRO 166 CO -0.15 0.51 -0.01 0.28 -0.21 0.00 0.00 178.00 178.42 1ypk h VAL 167 N 0.56 1.26 -0.10 3.15 2.07 -1.65 -1.08 116.25 120.47 1ypk h VAL 167 Ca 0.13 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1ypk h VAL 167 Cb 0.19 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1ypk h VAL 167 CO -0.01 0.34 -0.10 0.00 0.02 0.00 0.00 177.57 177.83 1ypk h LYS 169 N -0.12 0.81 -0.00 0.00 3.64 -1.01 -2.09 116.57 117.80 1ypk h LYS 169 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ypk h LYS 169 Cb 0.23 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ypk h LYS 169 CO -0.18 0.54 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.27 1ypk n ASP 170 N -4.72 0.10 -0.09 4.20 8.00 -0.42 -3.17 116.55 120.46 1ypk n ASP 170 Ca 0.17 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.45 1ypk n ASP 170 Cb 0.36 -0.20 0.30 0.00 -0.02 0.00 0.00 41.12 41.56 1ypk n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ypk n SER 171 N -1.18 0.68 -3.86 -2.24 3.41 -0.79 -4.97 113.62 104.67 1ypk n SER 171 Ca 0.16 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 58.19 1ypk n SER 171 Cb 0.23 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1ypk n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ypk s THR 172 N -2.82 0.13 -0.78 6.66 -1.32 -1.19 -4.85 115.64 111.48 1ypk s THR 172 Ca 0.16 -1.06 0.25 0.00 -1.21 0.00 0.00 61.69 59.83 1ypk s THR 172 Cb 0.18 -1.13 0.07 0.00 -1.51 0.00 0.00 72.50 70.11 1ypk s THR 172 CO 0.63 -0.59 1.42 0.54 -2.21 0.00 0.00 174.62 174.42 1ypk n ARG 173 N 0.32 0.18 -2.15 7.08 1.74 -1.26 -4.91 116.66 117.66 1ypk n ARG 173 Ca -0.17 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 1ypk n ARG 173 Cb 0.61 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 1ypk n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ypk s ILE 174 N -3.10 2.81 -0.27 0.55 -1.09 -1.26 -4.96 121.20 113.89 1ypk s ILE 174 Ca 0.08 0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 58.97 1ypk s ILE 174 Cb 0.15 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1ypk s ILE 174 CO 0.69 0.13 1.30 -0.60 -1.23 0.00 0.00 174.94 175.23 1ypk s ARG 175 N -2.07 3.99 0.06 2.79 3.52 -1.26 -5.01 118.95 120.97 1ypk s ARG 175 Ca 0.54 1.36 -0.20 0.00 -0.13 0.00 0.00 55.73 57.29 1ypk s ARG 175 Cb -0.37 -3.86 -0.06 0.00 -1.56 0.00 0.00 34.95 29.10 1ypk s ARG 175 CO 0.47 -1.03 0.59 0.42 -0.81 0.00 0.00 175.30 174.94 1ypk s ILE 176 N 4.19 4.75 0.42 4.11 -1.09 -1.26 -4.90 121.20 127.43 1ypk s ILE 176 Ca 0.56 1.25 0.07 0.00 -2.23 0.00 0.00 60.65 60.30 1ypk s ILE 176 Cb -0.18 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1ypk s ILE 176 CO 0.21 0.53 0.17 0.42 -1.23 0.00 0.00 174.94 175.03 1ypk s THR 177 N -0.92 2.19 -0.12 2.92 -4.23 -1.26 -5.02 115.64 109.19 1ypk s THR 177 Ca 0.30 -1.73 0.29 0.00 -1.18 0.00 0.00 61.69 59.37 1ypk s THR 177 Cb -0.19 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 71.03 1ypk s THR 177 CO 0.19 0.00 1.86 0.44 -0.54 0.00 0.00 174.62 176.57 1ypk h ASP 178 N 1.42 0.00 -0.07 3.99 3.32 -2.03 -1.92 116.42 121.14 1ypk h ASP 178 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ypk h ASP 178 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ypk h ASP 178 CO 0.71 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.82 1ypk n ASN 179 N -2.57 0.69 -4.13 6.45 3.02 -1.26 -4.86 115.26 112.60 1ypk n ASN 179 Ca 0.00 -2.02 -0.14 0.00 -0.03 0.00 0.00 54.58 52.39 1ypk n ASN 179 Cb 0.19 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 1ypk n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ypk s MET 180 N -1.71 0.71 0.14 3.52 -1.94 -0.72 -0.87 119.30 118.42 1ypk s MET 180 Ca 0.05 -0.98 -0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1ypk s MET 180 Cb 0.03 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1ypk s MET 180 CO 0.03 0.07 0.04 -0.59 -0.01 0.00 0.00 175.02 174.56 1ypk s PHE 181 N -1.94 0.96 0.17 -0.03 -0.12 -0.57 -4.82 117.98 111.62 1ypk s PHE 181 Ca -0.01 -1.16 0.09 0.00 -0.05 0.00 0.00 56.93 55.80 1ypk s PHE 181 Cb -0.06 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1ypk s PHE 181 CO -0.00 -0.41 -0.20 0.00 -0.05 0.00 0.00 175.22 174.55 1ypk s ALA 183 N -1.86 -0.11 0.00 0.00 0.00 -0.53 -1.26 121.76 118.00 1ypk s ALA 183 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1ypk s ALA 183 Cb -0.07 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1ypk s ALA 183 CO 0.08 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1ypk n GLY 184 N 0.96 3.70 3.81 0.00 0.00 0.35 -2.51 105.19 111.49 1ypk n GLY 184 Ca -0.20 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1ypk n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypk s TYR 184 N -2.00 3.48 0.65 1.61 2.02 -1.26 -4.51 117.35 117.35 1ypk s TYR 184 Ca 0.00 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.15 1ypk s TYR 184 Cb 0.00 -2.78 -0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1ypk s TYR 184 CO 0.00 0.08 1.05 0.15 -1.57 0.00 0.00 175.55 175.26 1ypk s LYS 185 N -2.64 3.30 0.47 -0.62 1.02 -1.26 -4.82 119.74 115.18 1ypk s LYS 185 Ca 0.54 0.71 0.16 0.00 0.02 0.00 0.00 55.97 57.40 1ypk s LYS 185 Cb -0.13 -2.05 1.10 0.00 -0.52 0.00 0.00 37.83 36.23 1ypk s LYS 185 CO 0.18 -0.78 2.03 -1.35 -0.92 0.00 0.00 175.35 174.52 1ypk h PRO 186 N -0.47 0.00 -0.00 -1.68 0.11 -1.96 -0.82 132.00 127.18 1ypk h PRO 186 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ypk h PRO 186 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ypk h PRO 186 CO 0.62 0.14 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.29 1ypk n ASP 186 N -4.31 0.00 0.09 -2.05 9.92 -1.26 -3.06 116.55 115.88 1ypk n ASP 186 Ca -0.03 -0.52 0.08 0.00 -0.53 0.00 0.00 54.79 53.80 1ypk n ASP 186 Cb 0.21 -0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 1ypk n ASP 186 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ypk h GLU 186 N 0.00 0.00 0.00 -1.24 5.08 -1.51 -3.48 114.58 113.43 1ypk h GLU 186 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ypk h GLU 186 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ypk h GLU 186 CO 0.00 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1ypk n GLY 186 N 1.24 1.16 3.73 -3.84 0.00 -1.17 -5.00 105.19 101.31 1ypk n GLY 186 Ca -0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1ypk n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypk s LYS 186 N 0.00 0.62 0.00 1.61 1.02 -1.26 -5.06 119.74 116.67 1ypk s LYS 186 Ca 0.00 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1ypk s LYS 186 Cb 0.00 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1ypk s LYS 186 CO 0.00 -2.56 0.00 -2.13 -0.92 0.00 0.00 175.35 169.74 1ypk n ARG 187 N -4.02 0.00 0.00 1.68 0.63 -1.23 -4.74 116.66 108.98 1ypk n ARG 187 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ypk n ARG 187 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1ypk n ARG 187 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ypk n GLY 188 N 3.13 4.67 3.52 5.14 0.00 -1.26 -4.90 105.19 115.49 1ypk n GLY 188 Ca 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1ypk n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ypk s ASP 189 N 0.00 -0.33 0.90 1.61 2.15 -0.91 -4.71 116.67 115.38 1ypk s ASP 189 Ca 0.00 -0.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 1ypk s ASP 189 Cb 0.00 0.35 0.13 0.00 -0.30 0.00 0.00 42.92 43.10 1ypk s ASP 189 CO 0.00 -0.57 1.15 0.00 -0.17 0.00 0.00 175.17 175.59 1ypk s ALA 190 N -3.02 1.96 0.32 3.66 0.00 -1.26 -0.31 121.76 123.11 1ypk s ALA 190 Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1ypk s ALA 190 Cb -0.01 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1ypk s ALA 190 CO -0.08 -2.19 0.62 0.00 0.00 0.00 0.00 175.76 174.11 1ypk n GLU 192 N -0.44 1.35 0.00 0.00 0.00 -1.26 -1.27 120.64 119.02 1ypk n GLU 192 Ca -0.07 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.58 1ypk n GLU 192 Cb 0.48 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1ypk n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ypk n GLY 193 N 2.71 1.18 0.10 8.31 0.00 -1.26 0.32 105.19 116.54 1ypk n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1ypk n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ypk n ASP 194 N 0.00 0.78 -4.48 1.61 8.00 -0.39 -3.75 116.55 118.31 1ypk n ASP 194 Ca 0.00 0.24 -0.53 0.00 0.71 0.00 0.00 54.79 55.21 1ypk n ASP 194 Cb 0.00 0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1ypk n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ypk n SER 195 N -2.50 -0.12 0.00 -2.24 7.64 -1.26 -1.47 113.62 113.67 1ypk n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1ypk n SER 195 Cb 0.52 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1ypk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypk n GLY 196 N 1.79 2.68 3.83 0.23 0.00 -0.12 -0.19 105.19 113.41 1ypk n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ypk n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ypk s GLY 197 N -1.80 1.63 0.21 -0.02 0.00 -0.54 -2.99 107.32 103.79 1ypk s GLY 197 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 1ypk s GLY 197 CO 0.00 -0.13 0.51 2.56 0.00 0.00 0.00 173.10 176.04 1ypk s PRO 198 N -5.51 3.78 -0.33 2.90 0.04 -1.26 -0.92 135.00 133.69 1ypk s PRO 198 Ca 0.66 0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 1ypk s PRO 198 Cb -0.11 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.76 1ypk s PRO 198 CO 0.52 0.36 0.09 0.12 0.04 0.00 0.00 177.00 178.13 1ypk s PHE 199 N -1.76 3.24 0.24 0.56 2.19 -0.39 -3.73 117.98 118.34 1ypk s PHE 199 Ca 0.45 -1.42 0.10 0.00 0.33 0.00 0.00 56.93 56.39 1ypk s PHE 199 Cb -0.12 -2.26 -0.04 0.00 -1.31 0.00 0.00 43.02 39.29 1ypk s PHE 199 CO 0.22 -0.72 -0.07 0.14 1.83 0.00 0.00 175.22 176.62 1ypk s VAL 200 N 1.40 3.19 0.03 3.12 -7.23 -0.17 -1.14 120.40 119.60 1ypk s VAL 200 Ca -0.02 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1ypk s VAL 200 Cb -0.19 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1ypk s VAL 200 CO 0.02 -0.29 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.38 1ypk s MET 201 N -3.37 0.68 -0.29 4.82 -1.94 -0.21 -0.41 119.30 118.57 1ypk s MET 201 Ca 0.29 -0.62 -0.10 0.00 -1.71 0.00 0.00 55.69 53.55 1ypk s MET 201 Cb -0.07 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.14 1ypk s MET 201 CO 0.17 0.14 0.17 0.21 -0.01 0.00 0.00 175.02 175.71 1ypk s LYS 202 N -1.03 3.74 0.18 2.03 2.20 -1.26 -0.55 119.74 125.04 1ypk s LYS 202 Ca -0.02 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.82 1ypk s LYS 202 Cb -0.07 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.55 1ypk s LYS 202 CO 0.01 -0.25 1.52 0.45 -0.36 0.00 0.00 175.35 176.71 1ypk s SER 203 N 1.71 6.63 0.00 1.43 0.15 0.95 -4.87 113.70 119.70 1ypk s SER 203 Ca 0.06 2.60 0.30 0.00 0.70 0.00 0.00 55.95 59.61 1ypk s SER 203 Cb -0.16 -2.60 1.46 0.00 -1.71 0.00 0.00 66.02 63.01 1ypk s SER 203 CO 0.09 -0.78 2.02 -0.81 1.20 0.00 0.00 173.24 174.96 1ypk n PRO 204 N 3.57 0.45 0.05 5.44 -0.04 -1.26 -0.95 135.00 142.26 1ypk n PRO 204 Ca 0.12 -0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1ypk n PRO 204 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 1ypk n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ypk h PHE 204 N 0.08 0.61 0.00 0.54 0.04 -1.96 -3.41 116.94 112.84 1ypk h PHE 204 Ca 0.00 -0.45 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1ypk h PHE 204 Cb 0.30 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ypk h PHE 204 CO 0.00 1.58 0.00 0.27 -0.60 0.00 0.00 178.31 179.56 1ypk n ASN 204 N -3.80 0.91 -1.66 2.17 0.23 -1.24 -5.02 115.26 106.85 1ypk n ASN 204 Ca -0.23 -1.41 -0.19 0.00 -0.53 0.00 0.00 54.58 52.22 1ypk n ASN 204 Cb 0.98 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.62 1ypk n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ypk n ASN 205 N -0.20 -5.30 -4.88 0.53 4.13 -0.13 -4.99 115.26 104.41 1ypk n ASN 205 Ca 0.00 0.30 -0.31 0.00 1.68 0.00 0.00 54.58 56.25 1ypk n ASN 205 Cb 0.33 -4.42 -0.05 0.00 -1.54 0.00 0.00 39.78 34.10 1ypk n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ypk s ARG 206 N -4.03 3.31 -0.08 3.52 0.52 -1.25 -4.81 118.95 116.12 1ypk s ARG 206 Ca 0.00 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 54.51 1ypk s ARG 206 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1ypk s ARG 206 CO 0.00 0.61 0.67 -1.58 0.02 0.00 0.00 175.30 175.02 1ypk s TRP 207 N -1.43 3.56 -0.03 -0.53 0.52 -1.26 -0.04 118.94 119.73 1ypk s TRP 207 Ca 0.32 1.18 0.06 0.00 0.02 0.00 0.00 56.10 57.68 1ypk s TRP 207 Cb -0.13 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.40 1ypk s TRP 207 CO 0.24 0.08 -0.19 0.71 0.02 0.00 0.00 176.95 177.81 1ypk s TYR 208 N 0.84 2.54 -0.49 -1.98 2.02 0.29 -2.25 117.35 118.32 1ypk s TYR 208 Ca 0.35 -0.28 -0.21 0.00 -0.37 0.00 0.00 57.07 56.57 1ypk s TYR 208 Cb -0.17 -1.56 0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1ypk s TYR 208 CO 0.16 0.11 0.70 -1.14 -1.57 0.00 0.00 175.55 173.81 1ypk s GLN 209 N -0.77 3.23 0.06 -0.62 0.74 0.40 -1.05 119.66 121.66 1ypk s GLN 209 Ca 0.11 -0.54 0.18 0.00 0.05 0.00 0.00 55.36 55.16 1ypk s GLN 209 Cb -0.10 -4.03 -0.13 0.00 1.10 0.00 0.00 33.01 29.85 1ypk s GLN 209 CO 0.00 -1.19 0.79 -1.33 -0.55 0.00 0.00 175.29 173.02 1ypk n MET 210 N 6.48 0.62 -4.09 1.67 2.81 -0.29 -4.41 117.12 119.91 1ypk n MET 210 Ca -0.03 0.17 -0.08 0.00 -1.81 0.00 0.00 57.70 55.96 1ypk n MET 210 Cb 0.47 -1.78 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 1ypk n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ypk s GLY 211 N -4.76 0.59 -0.07 3.03 0.00 -0.88 -1.52 107.32 103.72 1ypk s GLY 211 Ca -0.03 -1.24 0.05 0.00 0.00 0.00 0.00 44.72 43.49 1ypk s GLY 211 CO 0.81 -1.30 -0.22 -0.42 0.00 0.00 0.00 173.10 171.98 1ypk s ILE 212 N -3.95 1.87 -0.17 0.90 1.01 -0.90 -1.26 121.20 118.70 1ypk s ILE 212 Ca 0.12 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1ypk s ILE 212 Cb 0.08 -1.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.87 1ypk s ILE 212 CO -0.07 0.52 2.13 0.52 0.00 0.00 0.00 174.94 178.05 1ypk n VAL 213 N 3.21 0.44 -0.01 2.92 0.31 -0.10 -0.92 118.33 124.18 1ypk n VAL 213 Ca -0.18 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 63.79 1ypk n VAL 213 Cb 0.52 -2.31 -0.01 0.00 -0.91 0.00 0.00 33.84 31.14 1ypk n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ypk n SER 214 N 10.02 0.92 -3.83 4.52 2.88 -0.70 -0.95 113.62 126.49 1ypk n SER 214 Ca 0.29 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 1ypk n SER 214 Cb 0.39 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 1ypk n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ypk s TRP 215 N -1.88 0.10 0.09 0.66 1.48 -0.79 -4.92 118.94 113.69 1ypk s TRP 215 Ca -0.08 -0.53 -0.26 0.00 -1.06 0.00 0.00 56.10 54.17 1ypk s TRP 215 Cb 0.01 0.48 0.09 0.00 -1.16 0.00 0.00 33.47 32.89 1ypk s TRP 215 CO 0.12 -1.16 1.10 0.20 -4.06 0.00 0.00 176.95 173.16 1ypk s GLY 216 N -2.98 -0.22 -0.42 3.67 0.00 -1.26 -0.40 107.32 105.71 1ypk s GLY 216 Ca 0.17 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 1ypk s GLY 216 CO 0.09 0.85 0.20 -0.54 0.00 0.00 0.00 173.10 173.70 1ypk s GLU 217 N -2.72 1.97 2.39 2.90 2.02 -1.26 -4.96 118.70 119.03 1ypk s GLU 217 Ca 0.16 -1.90 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1ypk s GLU 217 Cb 0.00 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1ypk s GLU 217 CO 0.01 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.63 1ypk n GLY 219 N 4.43 -0.72 2.91 -1.39 0.00 -1.26 -4.77 105.19 104.40 1ypk n GLY 219 Ca -0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1ypk n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypk n ASP 221 N 4.31 -5.26 -4.76 0.00 2.03 -1.26 -4.55 116.55 107.07 1ypk n ASP 221 Ca -0.25 -0.26 -0.40 0.00 0.52 0.00 0.00 54.79 54.41 1ypk n ASP 221 Cb 0.51 -4.29 -0.06 0.00 -0.72 0.00 0.00 41.12 36.56 1ypk n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ypk s ARG 221 N -5.69 4.78 0.31 -0.67 0.52 -1.26 -4.95 118.95 112.00 1ypk s ARG 221 Ca 0.28 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.70 1ypk s ARG 221 Cb -0.13 -3.18 -0.11 0.00 0.52 0.00 0.00 34.95 32.04 1ypk s ARG 221 CO 0.35 0.44 1.57 -0.25 0.02 0.00 0.00 175.30 177.43 1ypk n ASP 222 N 1.29 3.86 0.00 0.23 9.92 -1.26 -2.03 116.55 128.55 1ypk n ASP 222 Ca -0.01 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 1ypk n ASP 222 Cb 0.47 -1.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 1ypk n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ypk n GLY 223 N 1.74 1.05 3.64 0.44 0.00 -1.26 -5.02 105.19 105.79 1ypk n GLY 223 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1ypk n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypk s LYS 224 N -0.02 2.27 0.02 1.61 -0.14 -0.86 -4.76 119.74 117.85 1ypk s LYS 224 Ca 0.00 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 1ypk s LYS 224 Cb 0.00 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1ypk s LYS 224 CO 0.00 0.34 -0.03 0.71 -0.76 0.00 0.00 175.35 175.60 1ypk s TYR 225 N -2.35 0.28 0.39 3.18 2.02 -1.26 -4.73 117.35 114.88 1ypk s TYR 225 Ca 0.32 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 56.33 1ypk s TYR 225 Cb -0.06 -0.19 -0.09 0.00 -0.40 0.00 0.00 41.96 41.22 1ypk s TYR 225 CO 0.20 -0.15 1.02 0.20 -1.57 0.00 0.00 175.55 175.25 1ypk s GLY 226 N -1.26 2.71 0.01 0.71 0.00 -1.04 -4.67 107.32 103.77 1ypk s GLY 226 Ca -0.13 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.26 1ypk s GLY 226 CO -0.01 1.04 -0.10 -1.36 0.00 0.00 0.00 173.10 172.68 1ypk s PHE 227 N -1.71 2.80 -0.02 1.90 0.40 0.46 -1.46 117.98 120.35 1ypk s PHE 227 Ca 0.57 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.83 1ypk s PHE 227 Cb -0.20 -1.58 -0.00 0.00 0.51 0.00 0.00 43.02 41.76 1ypk s PHE 227 CO 0.25 0.33 -0.09 0.71 0.70 0.00 0.00 175.22 177.13 1ypk s TYR 228 N -0.97 0.85 0.16 0.36 1.51 -0.08 -1.72 117.35 117.46 1ypk s TYR 228 Ca 0.16 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.72 1ypk s TYR 228 Cb -0.11 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.06 1ypk s TYR 228 CO 0.07 -0.06 1.47 0.99 -1.11 0.00 0.00 175.55 176.91 1ypk s THR 229 N 0.04 2.92 -0.79 -0.71 2.01 -0.09 -1.51 115.64 117.49 1ypk s THR 229 Ca -0.00 0.67 -0.25 0.00 0.31 0.00 0.00 61.69 62.42 1ypk s THR 229 Cb -0.06 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 69.06 1ypk s THR 229 CO 0.00 0.06 1.26 -2.28 -0.69 0.00 0.00 174.62 172.97 1ypk s HIS 230 N 0.95 2.43 0.14 4.92 2.46 -0.05 -2.11 115.29 124.03 1ypk s HIS 230 Ca 0.66 -0.35 -0.17 0.00 0.47 0.00 0.00 55.06 55.67 1ypk s HIS 230 Cb -0.41 -4.58 -0.02 0.00 -0.13 0.00 0.00 32.58 27.45 1ypk s HIS 230 CO 0.32 -1.96 1.77 0.28 -2.47 0.00 0.00 174.74 172.68 1ypk h VAL 231 N 6.17 1.12 -0.92 0.89 2.07 -1.57 -2.60 116.25 121.41 1ypk h VAL 231 Ca -0.16 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1ypk h VAL 231 Cb 1.04 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1ypk h VAL 231 CO 1.29 0.11 0.57 0.15 0.02 0.00 0.00 177.57 179.71 1ypk h PHE 232 N 0.44 1.03 0.00 1.57 3.57 -1.86 -0.48 116.94 121.21 1ypk h PHE 232 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ypk h PHE 232 Cb 0.01 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 1ypk h PHE 232 CO -0.04 0.46 -0.04 0.00 -2.23 0.00 0.00 178.31 176.46 1ypk h ARG 233 N 0.96 0.00 -0.29 1.11 2.47 -1.84 -2.04 114.38 114.75 1ypk h ARG 233 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1ypk h ARG 233 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1ypk h ARG 233 CO -0.23 0.04 0.00 1.28 0.56 0.00 0.00 179.97 181.62 1ypk n LEU 234 N -3.82 3.11 0.08 3.04 4.77 -0.25 -4.65 117.00 119.29 1ypk n LEU 234 Ca -0.03 -2.32 -0.01 0.00 -0.03 0.00 0.00 56.01 53.63 1ypk n LEU 234 Cb 0.13 -0.31 0.28 0.00 -2.33 0.00 0.00 43.42 41.19 1ypk n LEU 234 CO 0.29 0.70 0.77 0.50 -1.33 0.00 0.00 177.39 178.31 1ypk h LYS 235 N 1.75 0.31 -0.55 3.23 3.64 -0.72 -2.47 116.57 121.76 1ypk h LYS 235 Ca 0.00 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1ypk h LYS 235 Cb 0.92 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1ypk h LYS 235 CO 0.06 0.55 0.17 0.87 -2.27 0.00 0.00 179.45 178.83 1ypk h LYS 236 N 0.28 0.83 -0.51 1.90 1.57 -1.82 0.48 116.57 119.29 1ypk h LYS 236 Ca 0.04 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1ypk h LYS 236 Cb 0.60 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1ypk h LYS 236 CO 0.04 0.72 -0.06 2.35 -0.57 0.00 0.00 179.45 181.93 1ypk h TRP 237 N 0.80 1.04 -0.54 -1.35 7.01 -1.82 -0.88 115.95 120.21 1ypk h TRP 237 Ca 0.18 -0.20 0.02 0.00 2.11 0.00 0.00 58.89 61.00 1ypk h TRP 237 Cb 0.24 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1ypk h TRP 237 CO 0.01 0.98 0.34 0.82 -2.79 0.00 0.00 178.44 177.80 1ypk h ILE 238 N 0.80 1.09 0.02 2.65 2.04 -0.96 -1.01 117.51 122.13 1ypk h ILE 238 Ca 0.14 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ypk h ILE 238 Cb 0.61 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1ypk h ILE 238 CO 0.04 0.12 -0.01 1.56 0.00 0.00 0.00 178.15 179.86 1ypk h GLN 239 N 0.67 -0.02 -0.42 2.37 4.20 -0.86 -1.60 115.11 119.45 1ypk h GLN 239 Ca 0.21 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1ypk h GLN 239 Cb -0.01 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1ypk h GLN 239 CO -0.08 0.01 0.05 -0.22 -0.67 0.00 0.00 178.83 177.92 1ypk h LYS 240 N -0.05 0.17 0.02 1.46 3.64 -0.83 0.41 116.57 121.39 1ypk h LYS 240 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ypk h LYS 240 Cb 0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ypk h LYS 240 CO 0.00 0.11 -0.01 0.28 -2.27 0.00 0.00 179.45 177.56 1ypk h VAL 241 N 0.17 1.13 -0.59 2.00 2.07 -0.93 -2.26 116.25 117.84 1ypk h VAL 241 Ca 0.21 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1ypk h VAL 241 Cb 0.28 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1ypk h VAL 241 CO -0.30 0.12 0.03 0.40 0.02 0.00 0.00 177.57 177.84 1ypk h ILE 242 N -0.24 1.26 -0.88 4.57 2.04 -0.97 0.21 117.51 123.50 1ypk h ILE 242 Ca -0.00 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1ypk h ILE 242 Cb 0.23 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1ypk h ILE 242 CO 0.01 0.40 0.57 0.44 0.00 0.00 0.00 178.15 179.57 1ypk h ASP 243 N 0.92 0.96 -0.18 1.72 3.32 -0.90 -2.97 116.42 119.29 1ypk h ASP 243 Ca 0.17 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1ypk h ASP 243 Cb 0.51 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1ypk h ASP 243 CO 0.02 0.67 -0.68 -0.61 -1.72 0.00 0.00 179.24 176.92 1ypk h GLN 244 N 1.13 0.78 -0.01 3.56 4.15 -0.97 -3.51 115.11 120.23 1ypk h GLN 244 Ca 0.34 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1ypk h GLN 244 Cb -0.03 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1ypk h GLN 244 CO -0.10 1.21 0.00 1.19 -1.93 0.00 0.00 178.83 179.20